N-[(E)-2-bromanyl-2-[1-(dimethylamino)-6-(phenylmethyl)hexadecan-3-yl]sulfanyl-ethenyl]ethanamide

Systemtic Name: N-[(E)-2-bromanyl-2-[1-(dimethylamino)-6-(phenylmethyl)hexadecan-3-yl]sulfanyl-ethenyl]ethanamide Openeye Name: N-[(E)-2-[4-benzyl-1-(2-dimethylaminoethyl)tetradecyl]sulfanyl-2-bromo-vinyl]acetamide CAS Name: N-[(E)-2-bromo-2-[[1-(dimethylamino)-6-(phenylmethyl)hexadecan-3-yl]thio]ethenyl]acetamide IUPAC Name: N-[(E)-2-[6-benzyl-1-(dimethylamino)hexadecan-3-yl]sulfanyl-2-bromoethenyl]acetamide Traditional Name: N-[(E)-2-[[4-benzyl-1-(2-dimethylaminoethyl)tetradecyl]thio]-2-bromo-vinyl]acetamide Formula: C29H49BrN2OS MolecularWeight: 553.68116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCC(CCN(C)C)SC(=CNC(=O)C)Br)CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCC(CCC(CCN(C)C)S/C(=C\NC(=O)C)/Br)CC1=CC=CC=C1

InChI

InChI=1S/C29H49BrN2OS/c1-5-6-7-8-9-10-11-13-18-27(23-26-16-14-12-15-17-26)19-20-28(21-22-32(3)4)34-29(30)24-31-25(2)33/h12,14-17,24,27-28H,5-11,13,18-23H2,1-4H3,(H,31,33)/b29-24-